Ac3Te2Ir
Alexandria ALEXAlex-ID: agm005758385 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Ac3Te2Ir
2023-08-25 06:03:53.637759
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758385).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005758385
data_agm005758385
_cell_length_a 8.15500
_cell_length_b 8.15500
_cell_length_c 14.41991
_cell_angle_alpha 101.03207
_cell_angle_beta 101.03206
_cell_angle_gamma 108.86073
_cell_volume 856.98099
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ac1 Ac 0.16429 0.69327 0.81782 1.00000
Ac2 Ac 0.65353 0.12455 0.81782 1.00000
Ac3 Ac 0.08571 0.05673 0.68218 1.00000
Ac4 Ac 0.59647 0.62545 0.68218 1.00000
Ac5 Ac 0.03956 0.53956 0.50000 1.00000
Ac6 Ac 0.46044 0.96044 0.50000 1.00000
Ac7 Ac 0.37455 0.40353 0.31782 1.00000
Ac8 Ac 0.94327 0.91429 0.31782 1.00000
Ac9 Ac 0.87545 0.34647 0.18218 1.00000
Ac10 Ac 0.30673 0.83571 0.18218 1.00000
Ac11 Ac 0.21044 0.21044 1.00000 1.00000
Ac12 Ac 0.78956 0.78956 0.00000 1.00000
Te1 Te 0.99457 0.49457 0.98914 1.00000
Te2 Te 0.42201 0.42201 0.84401 1.00000
Te3 Te 0.82799 0.32799 0.65599 1.00000
Te4 Te 0.25543 0.25543 0.51086 1.00000
Te5 Te 0.74457 0.74457 0.48914 1.00000
Te6 Te 0.67201 0.17201 0.34401 1.00000
Te7 Te 0.57799 0.57799 0.15599 1.00000
Te8 Te 0.50543 0.00543 0.01086 1.00000
Ir1 Ir 0.91617 0.91617 0.83233 1.00000
Ir2 Ir 0.33383 0.83383 0.66767 1.00000
Ir3 Ir 0.16617 0.66617 0.33233 1.00000
Ir4 Ir 0.08383 0.08383 0.16767 1.00000
